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89560-05-4 | 2,4-Tridecadiene, 1-bromo-, (E,Z)-
CAS No: 89560-05-4 Catalog No: AG003YCC MDL No:
Product Description
Catalog Number:
AG003YCC
Chemical Name:
2,4-Tridecadiene, 1-bromo-, (E,Z)-
CAS Number:
89560-05-4
Molecular Formula:
C13H23Br
Molecular Weight:
259.2257
IUPAC Name:
1-bromotrideca-2,4-diene
InChI:
InChI=1S/C13H23Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-12H,2-8,13H2,1H3
InChI Key:
IIFQGBVWVRHQMW-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\C=C\CBr
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.098g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.231g/mol
Monoisotopic Mass:
258.098g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.2
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